| Compound ID | EDG-MED-b1ef7fe3-4 |
| ΔG / kcal M-1 | −8.6 ± 0.1 |
| pIC50 | 6.24 ± 0.09 |
| ΔG / kcal M-1 | −8.6 ± 0.1 |
| pIC50 | 6.3 ± 0.1 |
| IC50 / µM | 0.501 ± 0.501 |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN167 | MAT-POS-c7726e07-5_1 |
|
EDG-MED-b1ef7fe3-4_1 |
|
−0.2 ± 0.4 |
|
|
|
|||
